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janosh
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matbench-discovery
An evaluation framework for machine learning models simulating high-throughput materials discovery.
https://matbench-discovery.materialsproject.org
MIT License
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fix: CHGNet MPTrj training set now published and widely used.
#107
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CompRhys
closed
5 months ago
CompRhys
commented
5 months ago
MPTrj creation guide
MPTrj creation guide